4,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)pyrimidin-2-amine

C50H33N7O2 — CID 154990018

IUPAC4,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)pyrimidin-2-amine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(N2c3ccccc3Oc3ccccc32)nc(N(c2ccc(-c3ccncc3)cc2)c2ccc(-c3ccncc3)cc2)n1
InChIInChI=1S/C50H33N7O2/c1-5-13-44-40(9-1)56(41-10-2-6-14-45(41)58-44)48-33-49(57-42-11-3-7-15-46(42)59-47-16-8-4-12-43(47)57)54-50(53-48)55(38-21-17-34(18-22-38)36-25-29-51-30-26-36)39-23-19-35(20-24-39)37-27-31-52-32-28-37/h1-33H
InChIKeyUUUUGYHBMJFHPK-UHFFFAOYSA-N
MW763.86 g/mol
LogP13.22
Rot. Bonds7

About 4,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)pyrimidin-2-amine

4,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)pyrimidin-2-amine (PubChem CID 154990018) has the molecular formula C50H33N7O2 and a molecular weight of 763.86 g/mol. Its IUPAC name is 4,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)pyrimidin-2-amine
PubChem CID154990018
Molecular FormulaC50H33N7O2
Molecular Weight763.86 g/mol
Exact Mass763.27
IUPAC Name4,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)pyrimidin-2-amine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(N2c3ccccc3Oc3ccccc32)nc(N(c2ccc(-c3ccncc3)cc2)c2ccc(-c3ccncc3)cc2)n1
InChIInChI=1S/C50H33N7O2/c1-5-13-44-40(9-1)56(41-10-2-6-14-45(41)58-44)48-33-49(57-42-11-3-7-15-46(42)59-47-16-8-4-12-43(47)57)54-50(53-48)55(38-21-17-34(18-22-38)36-25-29-51-30-26-36)39-23-19-35(20-24-39)37-27-31-52-32-28-37/h1-33H
InChIKeyUUUUGYHBMJFHPK-UHFFFAOYSA-N
XLogP13.22
TPSA79.74 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.86
LogP ≤ 513.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)pyridin-4-amine
CID 154990017
4,6-bis(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-N,N-bis(4-pyridin-4-ylphenyl)pyrimidin-2-amine
CID 158572755
4,6-di(phenothiazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-amine
CID 154990044
4,6-bis(3,6-dimethoxycarbazol-9-yl)-N,N-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-amine;4,6-bis(9,9-dimethylacridin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-amine;4,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-amine
CID 167544053
10-[4-(2-phenoxazin-10-yl-4-pyridinyl)-2-pyridinyl]phenoxazine
CID 122433785
10-(2-pyridin-4-ylphenyl)phenoxazine
CID 175717759
N,N-bis[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-phenylaniline
CID 122425451
N-[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 122425440
10-[2-[3,5-bis(4-phenoxazin-10-ylpyrimidin-2-yl)phenyl]pyrimidin-4-yl]phenoxazine
CID 147100386
4-chloro-6-phenoxazin-10-yl-N,N-diphenyl-1,3,5-triazin-2-amine
CID 137373889
3,5-bis(9,9-dimethylacridin-10-yl)-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-pyridin-4-ylphenyl)aniline;N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,5-di(phenoxazin-10-yl)-N-(4-pyridin-4-ylphenyl)aniline;N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-pyridin-4-ylphenyl)-3,5-bis(2,3,6,7-tetramethylcarbazol-9-yl)aniline
CID 160531607
2-(9,9-dimethylacridin-10-yl)-6-phenothiazin-10-yl-N-(4-pyrazin-2-ylphenyl)-N-(4-pyridin-4-ylphenyl)pyridin-4-amine
CID 154990061

Frequently Asked Questions

What is the IUPAC name of 4,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)pyrimidin-2-amine?
The IUPAC name of 4,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)pyrimidin-2-amine (CID 154990018) is 4,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)pyrimidin-2-amine is c1ccc2c(c1)Oc1ccccc1N2c1cc(N2c3ccccc3Oc3ccccc32)nc(N(c2ccc(-c3ccncc3)cc2)c2ccc(-c3ccncc3)cc2)n1.
What is the InChIKey of 4,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)pyrimidin-2-amine?
The InChIKey is UUUUGYHBMJFHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N7O2/c1-5-13-44-40(9-1)56(41-10-2-6-14-45(41)58-44)48-33-49(57-42-11-3-7-15-46(42)59-47-16-8-4-12-43(47)57)54-50(53-48)55(38-21-17-34(18-22-38)36-25-29-51-30-26-36)39-23-19-35(20-24-39)37-27-31-52-32-28-37/h1-33H.
What are the key properties of 4,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)pyrimidin-2-amine?
4,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)pyrimidin-2-amine has a molecular weight of 763.86 g/mol, XLogP of 13.22, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 154990018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).